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Compound Detail

CHEMBL110972

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N#Cc1ccc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL110972
Phase Preclinical
Structure Type MOL
InChI Key VPJCFBWLVYCZOX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
1.77
ALogP
4
HBA
1
HBD
104.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13N3O3
MW 319.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.99

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8765505 10.1021/jm9603328 Tumor necrosis factor 1

Data from ChEMBL 36 via Core Engine